4KI7
Design and structural analysis of aromatic inhibitors of type II dehydroquinase from Mycobacterium tuberculosis - compound 41c [3-hydroxy-5-(3-nitrophenoxy)benzoic acid]
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B, C, D, E... (A, B, C, D, E...) | 3-dehydroquinate dehydratase | polymer | 153 | 16584.8 | 24 | UniProt (P0A4Z6) Pfam (PF01220) UniProt (by SIFTS) (P9WPX7) | Mycobacterium tuberculosis | 3-dehydroquinase, Type II DHQase |
| 2 | AA, BA, CA, DA, EA... (C, D, E, F, G...) | 3-hydroxy-5-(3-nitrophenoxy)benzoic acid | non-polymer | 275.2 | 22 | Chemie (1R2) | |||
| 3 | AB, BB, CB, DB, EB... (G, H, I, J, K...) | water | water | 18.0 | 408 | Chemie (HOH) |
Sequence modifications
A, B, C, D, E, F, G, H, I, J, K, L, M, N, O, P, Q, R, S, T, U, V, W, X: 0 - 146 (UniProt: P0A4Z6)
| PDB | External Database | Details |
|---|---|---|
| Leu -6 | - | expression tag |
| Tyr -5 | - | expression tag |
| Phe -4 | - | expression tag |
| Gln -3 | - | expression tag |
| Ser -2 | - | expression tag |
| His -1 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 24 |
| Total formula weight | 398034.9 | |
| Non-Polymers* | Number of molecules | 22 |
| Total formula weight | 6054.7 | |
| All* | Total formula weight | 404089.6 |
